(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H15Cl2NOS — CID 118110610

IUPAC(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NOS/c1-8(15-17(16)12(2,3)4)9-5-10(13)7-11(14)6-9/h5-7H,1-4H3/b15-8+/t17-/m0/s1
InChIKeyVYJPJMZWOCGPNK-BXUGYJKXSA-N
MW292.23 g/mol
LogP4.26
Rot. Bonds2

About (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 118110610) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID118110610
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESC/C(=N\[S@@](=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NOS/c1-8(15-17(16)12(2,3)4)9-5-10(13)7-11(14)6-9/h5-7H,1-4H3/b15-8+/t17-/m0/s1
InChIKeyVYJPJMZWOCGPNK-BXUGYJKXSA-N
XLogP4.26
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 118110610) is (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is C/C(=N\[S@@](=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is VYJPJMZWOCGPNK-BXUGYJKXSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-8(15-17(16)12(2,3)4)9-5-10(13)7-11(14)6-9/h5-7H,1-4H3/b15-8+/t17-/m0/s1.
What are the key properties of (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 292.23 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118110610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).